Structures and hydrogen storage properties of AeVH3 (Ae= Be, Mg, Ca, Sr) perovskite hydrides by DFT calculations

A Siddique, A Khalil, BS Almutairi, MB Tahir… - International Journal of …, 2023 - Elsevier
The capability of hydrogen to be an energy source has made the hydrogen storage as one
of the most investigated research fields during the recent years, and novel perovskite …

Computational insights of double perovskite X2CaCdH6 (X= Rb and Cs) hydride materials for hydrogen storage applications: A DFT analysis

W Azeem, S Hussain, MK Shahzad, F Azad… - International Journal of …, 2024 - Elsevier
Perovskite materials play a backbone role in materials science to investigate various
applications including photocatalytic, photovoltaic, and hydrogen storage. Hydrogen storage …

[HTML][HTML] First-principles investigations for the hydrogen storage properties of XVH3 (X= Na, K, Rb, Cs) perovskite type hydrides

N Xu, Y Chen, S Chen, W Zhang, S Li, R Song… - Journal of Materials …, 2023 - Elsevier
The structural, mechanical, electronic, kinetic, thermodynamic, optical and hydrogen storage
properties of new perovskite hydrides XVH 3 (X= Na, K, Rb, Cs) were investigated using …

First-principles to explore the hydrogen storage properties of XPtH3 (X= Li, Na, K, Rb) perovskite type hydrides

R Song, Y Chen, S Chen, N Xu, W Zhang - International Journal of …, 2024 - Elsevier
Based on the first-principles, the hydrogen storage, mechanical, electronic, optical,
thermodynamic and kinetic properties of XPtH 3 (X= Li, Na, K, Rb) perovskites are …

Investigation of KMnH3 and KFeH3 perovskite hydrides via ab-initio for hydrogen storage

H Benaali, S Bahhar, A Tahiri, Y Didi, H Fatihi… - Inorganic Chemistry …, 2024 - Elsevier
Materials of the perovskite type could be a good option for applications involving the storage
of hydrogen. In this work, the structural, electrical, mechanical, hydrogen storage, and …

Comparative analysis of KXH3 (X= Mg, be) hydride cubic perovskites for hydrogen storage properties: a computational approach

MA Rahman, SS Islam, MA Rayhan, A Kabir… - International Journal of …, 2024 - Elsevier
The burgeoning potential of hydrogen as a future clean energy source has spurred intense
research into hydrogen storage solutions. Novel hydride perovskite materials aside metal …

Essential parts of hydrogen economy: Hydrogen production, storage, transportation and application

K Naseem, F Qin, F Khalid, G Suo, T Zahra… - … and Sustainable Energy …, 2025 - Elsevier
Promoting renewable energy sources and effective storage, conversion, and transportation
technologies to address non-renewable energy supply and environmental issues is a need …

Study of alkaline metals hydrides RbXH3 (X= Mg/Ca/Sr/Ba) for green energy and hydrogen storage applications

M mana Al-Anazy, GM Mustafa, O Zayed… - International Journal of …, 2024 - Elsevier
The potential of hydrogen as an energy source has positioned hydrogen storage as a
prominent research domain in the current era. Innovative perovskite compounds have …

Computational screening of BeXH3 (X: Al, Ga, and In) for optoelectronics and hydrogen storage applications

W Khan - Materials Science in Semiconductor Processing, 2024 - Elsevier
New perovskite-type hydrides were first time investigated under consideration of different
physical properties for the optoelectronics and hydrogen storage applications by using the …

First principles investigation for the hydrogen storage properties of novel lithium-based XLiH3 (X= K, Rb) perovskite-type hydrides for advance hydrogen storage …

R Song, N Xu, Y Chen, S Chen, S Zhang, Y Du… - International Journal of …, 2024 - Elsevier
In this work, the density functional theory is used to investigate the structural, mechanical,
electronic, dynamic, thermodynamic, optical and hydrogen storage properties of XLiH 3 (X …